2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one

C9H14O2 — CID 13358119

IUPAC2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one
SMILESCC(C)C1=C(O)C(=O)CCC1
InChIInChI=1S/C9H14O2/c1-6(2)7-4-3-5-8(10)9(7)11/h6,11H,3-5H2,1-2H3
InChIKeyNPSGOCMRTIRKSW-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds1

About 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one

2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one (PubChem CID 13358119) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one
PubChem CID13358119
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one
SMILESCC(C)C1=C(O)C(=O)CCC1
InChIInChI=1S/C9H14O2/c1-6(2)7-4-3-5-8(10)9(7)11/h6,11H,3-5H2,1-2H3
InChIKeyNPSGOCMRTIRKSW-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one (CID 13358119) is 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one is CC(C)C1=C(O)C(=O)CCC1.
What is the InChIKey of 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is NPSGOCMRTIRKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)7-4-3-5-8(10)9(7)11/h6,11H,3-5H2,1-2H3.
What are the key properties of 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one?
2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 13358119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).